| Identification | Back Directory | [Name]
1-[(2-Bromophenyl)thio]-2,4-dimethylbenzene | [CAS]
960203-41-2 | [Synonyms]
VortioxetineImpurity63
Vortioxetine Hydrobromide impurity L
(2-Bromophenyl)(2,4-dimethylphenyl)sulfane
1-[(2-Bromophenyl)thio]-2,4-dimethylbenzene
1-(2-broMophenylsulfanyl)-2,4-diMethylbenzene
Benzene, 1-[(2-broMophenyl)thio]-2,4-diMethyl- | [Molecular Formula]
C14H13BrS | [MDL Number]
MFCD26386449 | [MOL File]
960203-41-2.mol | [Molecular Weight]
293.22 |
| Chemical Properties | Back Directory | [Boiling point ]
329.2±30.0 °C(Predicted) | [density ]
1.40 | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Low-Melting Solid | [color ]
White to Off-White |
| Hazard Information | Back Directory | [Synthesis]
100 g of S-(2,4-dimethylphenyl)ethylthioate was suspended in 500 ml of degassed toluene. Under nitrogen protection, Pd(dba)2 (3.25 g, 0.006 mol), rac-BINAP (6.4 g, 0.01 mol) and sodium tert-butoxide (62.5 g, 0.65 mol) were added sequentially. After warming the reaction mixture to 45-55 °C, 2-iodo-1-bromobenzene (165 g, 0.583 mol) was slowly added dropwise. Subsequently, the reaction system was warmed to 90-100 °C under nitrogen atmosphere and kept at this temperature for 3 hours. After completion of the reaction, it was cooled to room temperature, 400 ml of water was added and stirred for 15-20 minutes. After static layering, the organic phase was separated and concentrated under reduced pressure to give a viscous oily material, which was the target product (2-bromophenyl)(2,4-dimethylphenyl)thiolane (162 g, 100% yield). | [References]
[1] Patent: WO2016/135636, 2016, A1. Location in patent: Page/Page column 19 |
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